SCHEMBL29181608

SCHEMBL29181608

CCN(C(=O)c1cc(Br)nn1-c1ncccc1Cl)c1c(Cl)cc(Cl)cc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ DPP4 P27487 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29181526 0.92 DHODH (0.36) DHODHCYP3A4KDM4EALDH1A1HPGD
SCHEMBL29181576 0.92 DHODH (0.36) DHODHCYP3A4KDM4EALDH1A1HPGD
SCHEMBL28451074 0.91 DHODH (0.36) DHODHCYP3A4KDM4EALDH1A1HPGD
SCHEMBL29181573 0.91 DHODH (0.36) DHODHCYP3A4KDM4EALDH1A1HPGD
SCHEMBL28455278 0.90 DHODH (0.35) DHODHCYP3A4KDM4EALDH1A1HPGD
SCHEMBL24397868 0.89 DHODH (0.38) DHODHCYP3A4KDM4EALDH1A1HPGD
SCHEMBL29129837 0.89 DHODH (0.36) DHODHALDH1A1HPGDSMN1; SMN2DPP4
SCHEMBL24397844 0.89 CHIA (0.39) DHODHCYP3A4KDM4EALDH1A1HPGD
SCHEMBL28455280 0.87 DHODH (0.37) DHODHCYP3A4KDM4EALDH1A1HPGD
SCHEMBL29181528 0.86 DHODH (0.35) DHODHCYP3A4KDM4EALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263908-A Preparation of 1-pyridylpyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-22 — — CN disclosed
Send feedback